SCHEMBL4993164

SCHEMBL4993164

CCOc1ccccc1-c1nccc(-c2cc3n(n2)CCNC3=O)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.45
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
PDE5A O76074 10/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 2/20 0.38
MDM2 Q00987 2/20 0.38
PDE1A P54750 3/20 0.37
PDE1B Q01064 3/20 0.37
PDE1C Q14123 3/20 0.37
PTPRC P08575 1/20 0.37
ALPL P05186 1/20 0.37
GUSB P08236 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5002436 0.92 CDC7 (0.43) CDC7PIM1PIM2PDE5AALDH1A1
SCHEMBL4993352 0.91 CDC7 (0.42) CDC7PIM1PIM2PDE5AALDH1A1
SCHEMBL4999698 0.90 CYP1A2 (0.47) CDC7PIM1PIM2ALDH1A1KDM4E
SCHEMBL4995903 0.89 CDC7 (0.41) CDC7PIM1PIM2PDE5ATP53
SCHEMBL14188645 0.88 CDC7 (0.43) CDC7PIM1PIM2PDE5A
SCHEMBL14188646 0.88 CDC7 (0.45) CDC7PIM1PIM2PDE5AALDH1A1
SCHEMBL14188647 0.87 CDC7 (0.42) CDC7PIM1PIM2PDE5A
SCHEMBL14188636 0.87 CDC7 (0.42) CDC7PIM1PIM2PDE5A
SCHEMBL14188603 0.87 CDC7 (0.46) CDC7PIM1PIM2ALDH1A1KDM4E
SCHEMBL5000396 0.86 CDC7 (0.47) CDC7PIM1PIM2ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 CDC7 487/4885PIM1 539/4885PIM2 309/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.